Hi Frank,
You can use P65 as well. IN p6522 there are no extra operators
(typically), so not much can be learned (the r value for calculated
data will be zero). You do need to have lower symmetry.
HTH
Peter
2009/9/17 Frank von Delft
Hi
We were trying to decide whether a structure is P65 or P6522: data merges fine in latter, and NCS is perfect, but R/Rfree are significantly worse (32/37-ish vs 23/28 for P65).
So I thought I'd listen to xtriage: seemed easy since I have both data and model in P6522, and I ran: phenix.xtriage final.mtz reference.structure.file=final.pdb
I'm not sure it's done anything, though - at least, I can't find the table shown on the 4th-last slide of this presentation: http://aca.hwi.buffalo.edu/HotNews/twinning/zwart.pdf
Something I said / did not say? Do I *have* to run it in P1?
Thanks! phx _______________________________________________ phenixbb mailing list [email protected] http://www.phenix-online.org/mailman/listinfo/phenixbb
-- ----------------------------------------------------------------- P.H. Zwart Beamline Scientist Berkeley Center for Structural Biology Lawrence Berkeley National Laboratories 1 Cyclotron Road, Berkeley, CA-94703, USA Cell: 510 289 9246 BCSB: http://bcsb.als.lbl.gov PHENIX: http://www.phenix-online.org CCTBX: http://cctbx.sf.net -----------------------------------------------------------------